Grundinformationen
- CAS
2555-05-7- Standard-SMILES
CC1CCNC1=O- InChIKey
AOCWQPKHSMJWPL-UHFFFAOYSA-N- Summenformel
- C5H9NO
- Durchschnittliche Molmasse
- 99,13 g/mol
- Monoisotopische Masse
- 99,06841391
Namen und Bezeichner
- Bevorzugter Name
- 3-Methylpyrrolidin-2-one
- IUPAC
- 3-methylpyrrolidin-2-one
- Lokaler Name
- 3-Methylpyrrolidin-2-on
- Englischer Name
- 3-Methyl-2-pyrrolidinone
- Summenformel
- C5H9NO
- Molmasse
- 99.13
Namen und Synonyme
3-Methylpyrrolidin-2-one3-Methyl-2-pyrrolidinone2-Pyrrolidinone, 3-methyl-EINECS 219-865-2RefChem:504337219-865-22555-05-73-Methyl-2-pyrrolidoneMFCD000052713-Methyl-2-pyrrolidinon3-Methyl-pyrrolidin-2-onemethylbutyrolactim
Weitere Namen anzeigen
α-Methylbutyrolactamalpha-Methylbutyrolactame2-Pyrrolidinone,3-methyl-(R,S)-3-Methyl-pyrrolidin-2-onealpha-Methylbutyrolactam~3-Methyl-2-pyrrolidone
alpha-MethylbutyrolactamQY7RSZ2LLLSCHEMBL44747CHEMBL59378SCHEMBL441223orb3023236rac-3-methyl-pyrrolidin-2-oneSCHEMBL1632505
Datenbank-Bezeichner
- CAS
2555-05-7- PubChem CID
- 102848
- ChEMBL
CHEMBL59378- UNII
- QY7RSZ2LLL
- EC Number
- 219-865-2
- Nikkaji
- J192.053G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 90
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 °C · 55°C
- Siedepunkt
- 118 · 118-120 °C(Press: 10 Torr)
- Dichte
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 16.66 · 16.66±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information2-Pyrrolidinone, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory Information2-Pyrrolidinone, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
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